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{[2-(Phenylsulfonyl)ethyl]thio}acetic acid, (o-chlorobenzylidene)hydrazide
SpectraBase Compound ID k3jrY6wsm6
InChI InChI=1S/C17H17ClN2O3S2/c18-16-9-5-4-6-14(16)12-19-20-17(21)13-24-10-11-25(22,23)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,20,21)/b19-12+
InChIKey GKIHFJVSNYPHPP-XDHOZWIPSA-N
Mol Weight 396.91 g/mol
Molecular Formula C17H17ClN2O3S2
Exact Mass 396.036912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vCCSJgUvBt
Name {[2-(Phenylsulfonyl)ethyl]thio}acetic acid, (o-chlorobenzylidene)hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 396.036912460 u
Formula C17H17ClN2O3S2
InChI InChI=1S/C17H17ClN2O3S2/c18-16-9-5-4-6-14(16)12-19-20-17(21)13-24-10-11-25(22,23)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,20,21)/b19-12+
InChIKey GKIHFJVSNYPHPP-XDHOZWIPSA-N
Molecular Weight 396.907 g/mol
SMILES N(C(CSCCS(C1=CC=CC=C1)(=O)=O)=O)\N=C\C=1C(=CC=CC1)Cl